Berlin 2012 – scientific programme

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DS: Fachverband Dünne Schichten

DS 38: Poster III: Resistive switching (jointly with DF, KR, HL); Thermoelectric materials (Focused session); Micro- and nanopatterning (jointly with O); Ion irradiation effects

DS 38.7: Poster

Thursday, March 29, 2012, 17:30–19:00, Poster E

Multifunctional oxides and the influence of defects on the ferroic properties — •S. Gemming¹, T. Weissbach², M. Zschornak^1,2, H. Stöcker², D. C. Meyer², T. Leisegang^2,3, I. Ronneberger¹, and K. Potzger¹ — ¹Helmholtz-Zentrum Dresden-Rossendorf, Dresden, Germany. — ²Institute of Physics, TU Bergakademie Freiberg, Freiberg, Germany. — ³SAXRAY GmbH i.G., Dresden-Rossendorf, Germany.

Transition metal oxides exhibit many physical phenomena, among them ferroic properties such as ferroelasticity, ferroelectricity and ferromagnetism, or their combination in multiferroics. The stoichiometry of transition metal oxides depends on the oxygen partial pressure and changes conductivity and ferroic properties. Ternary/quaternary oxides are discussed, which correlate local defect-induced structure changes with changes of the elastic, polarization and magnetic properties. The microscopic interactions are determined by density functional theory as basis for more large-scale simulations with effective Hamiltonians. Oxygen vacancies in SrTiO₃ accumulate in an external electric field and reduce the hardness. For Sr/O excess SrO(SrTiO₃)_n phases with additional SrO planes occur, which change the X-Ray reflectivity. Ion-irradiation triggers additional point defects which can form stable aggregates. In YMn₂O₅ several antiferromagnetic phases coexist with ferroelectricity; YFeMnO₅ exhibits only one commensurable ferrimagnetic phase. Based on spin-polarized DFT calculations a Heisenberg model yields the coupling constants of the two compounds and relates them to crystal-field interactions.